SCHEMBL4435852

SCHEMBL4435852

COc1ccc(CCn2nccc2N)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.38
TLR8 Q9NR97 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ADRB2 P07550 1/20 0.35
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
DYRK1A Q13627 2/20 0.34
ADRA1A P35348 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
POLB P06746 1/20 0.34
MAOA P21397 1/20 0.34
BCHE P06276 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29696195 0.77 CYP19A1 (0.49) KMT2AALDH1A1MEN1KDM4E
SCHEMBL1491082 0.75 APLNR (0.50) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL16370865 0.72 P2RX7 (0.41) KMT2AALDH1A1KDM4EPOLBMAOA
SCHEMBL12340483 0.71 TAAR1 (0.62) KMT2AALDH1A1MEN1ADRB2ADRA1A
Hydrochloric Acid SCHEMBL1437235 0.70 TAAR1 (0.61) KMT2AALDH1A1MEN1ADRB2ADRA1A
SCHEMBL1491063 0.69 MAPT (0.44) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL9917312 0.69 KMT2A (0.48) KMT2AALDH1A1MEN1HPGDAPOBEC3A
SCHEMBL174384 0.69 KDM4E (0.62) ALDH1A1KDM4EL3MBTL1
SCHEMBL13027374 0.68 KMT2A (0.48) KMT2AALDH1A1MEN1HPGDAPOBEC3A
Hydrochloric Acid SCHEMBL29442137 0.68 KDM4E (0.60) ALDH1A1KDM4EL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed